tert-Butyl (7R)-5-azaspiro(2.4)heptan-7-ylcarbamate

C11H20N2O2CAS 127199-44-4212.29 g/mol

Open in Covalent MOL file
OOHNNH
CarbamateSecondary amine

Properties

Molecular formula
C11H20N2O2
Molar mass
212.29 g/mol
Exact mass
212.1525 Da
logP
1.26Crippen estimate
Polar surface area
50.4 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
127199-44-4
SMILES
CC(C)(C)OC(=O)N[C@H]1CNCC12CC2
InChIKey
CGEBPOMWRHSMLI-QMMMGPOBSA-N
InChI
InChI=1S/C11H20N2O2/c1-10(2,3)15-9(14)13-8-6-12-7-11(8)4-5-11/h8,12H,4-7H2,1-3H3,(H,13,14)/t8-/m0/s1

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Names and synonyms

1 names
  • Carbamic acid, (7R)-5-azaspiro[2.4]hept-7-yl-, 1,1-dimethylethyl ester (9ci)

Work with tert-Butyl (7R)-5-azaspiro(2.4)heptan-7-ylcarbamate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(S)-tert-Butyl 5-azaspiro[2.4]heptan-7-ylcarbamate127199-45-5Enantiomer

Similar compounds

3-N-Boc-amino-azetidine91188-13-561 % similar tert-Butyl N-(azetidin-3-yl)carbamate hydrochloride217806-26-356 % similar (S)-3-(Boc-amino)pyrrolidine122536-76-955 % similar 3-N-Boc-aminopyrrolidine99724-19-355 % similar 3-(Boc-amino)piperidine172603-05-352 % similar tert-Butyl N-[(3S)-piperidin-3-yl]carbamate216854-23-852 % similar (R)-3-(Boc-amino)piperidine309956-78-352 % similar tert-Butyl 3-oxocyclobutylcarbamate154748-49-951 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl 6-amino-2-azaspiro[3.3]heptane-2-carboxylate1211586-09-2 tert-Butyl octahydropyrrolo(3,4-c)pyrrole-2-carboxylate141449-85-6 tert-Butyl 3,8-diazabicyclo[3.2.1]octane-8-carboxylate149771-44-8 Hexahydro-pyrrolo[3,4-B]pyrrole-1-carboxylic acid tert-butyl ester185693-02-1 1,1-Dimethylethyl 3,8-diazabicyclo[3.2.1]octane-3-carboxylate201162-53-0 cis-2-Boc-hexahydropyrrolo[3,4-C]pyrrole250275-15-1 Brivaracetam357336-20-0

Elsewhere

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